SCHEMBL29955052

SCHEMBL29955052

COCCN(CCC=O)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
KCNH2 Q12809 1/20 0.32
CHIT1 Q13231 1/20 0.32
CHIA Q9BZP6 1/20 0.32
PIK3CD O00329 1/20 0.31
CHI3L1 P36222 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ADH4 P08319 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29952368 0.85 SLC6A2 (0.35) SLC6A2SLC6A4KCNH2CHIT1CHIA
SCHEMBL29954588 0.79 DRD3 (0.43) ADH1CADH1AADH4
SCHEMBL22200611 0.79 SLC6A2 (0.35) SLC6A2SLC6A4KCNH2CHIT1CHIA
SCHEMBL24429364 0.76 SLC6A2 (0.36) SLC6A2SLC6A4KCNH2CHIT1CHIA
SCHEMBL29955016 0.76 ADH1A (0.37) ADH1CADH1AADH4
SCHEMBL24951485 0.76 ADH1A (0.34) SLC6A2SLC6A4ADH1CADH1AADH4
SCHEMBL29957860 0.76 ADH1A (0.46) ADH1CADH1AADH4
SCHEMBL9124846 0.75 CHI3L1 (0.36) SLC6A2SLC6A4KCNH2CHIT1CHIA
SCHEMBL24952289 0.75 ADH1A (0.37) SLC6A2SLC6A4ADH1CADH1AADH4
SCHEMBL24429366 0.75 SLC6A2 (0.35) SLC6A2SLC6A4KCNH2CHIT1CHIA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed